2-(4-amino-N-ethylanilino)ethanol;hydrate

C10H18N2O2 — CID 68828787

IUPAC2-(4-amino-N-ethylanilino)ethanol;hydrate
SMILESCCN(CCO)c1ccc(N)cc1.O
InChIInChI=1S/C10H16N2O.H2O/c1-2-12(7-8-13)10-5-3-9(11)4-6-10;/h3-6,13H,2,7-8,11H2,1H3;1H2
InChIKeyYOWWHKKKROSVRQ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.26
Rot. Bonds4

About 2-(4-amino-N-ethylanilino)ethanol;hydrate

2-(4-amino-N-ethylanilino)ethanol;hydrate (PubChem CID 68828787) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(4-amino-N-ethylanilino)ethanol;hydrate.

Molecular Properties

Compound Name2-(4-amino-N-ethylanilino)ethanol;hydrate
PubChem CID68828787
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-(4-amino-N-ethylanilino)ethanol;hydrate
SMILESCCN(CCO)c1ccc(N)cc1.O
InChIInChI=1S/C10H16N2O.H2O/c1-2-12(7-8-13)10-5-3-9(11)4-6-10;/h3-6,13H,2,7-8,11H2,1H3;1H2
InChIKeyYOWWHKKKROSVRQ-UHFFFAOYSA-N
XLogP0.26
TPSA80.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-N-ethylanilino)ethanol;methanesulfonamide;dihydrochloride
CID 70452511
2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol
CID 67612353
2-[4-(aminomethyl)-N-ethylanilino]ethanol
CID 43275884
4-N,4-N-diethylbenzene-1,4-diamine chloride
CID 18327270
[4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium
CID 143733505
2-[4-amino-N-[4-[4-amino-N-(2-hydroxyethyl)anilino]butyl]anilino]ethanol;tetrahydrochloride
CID 70637275
zinc;4-[ethyl(2-hydroxyethyl)amino]benzenediazonium;trichloride
CID 91997517
2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478278
(1S)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 63371070
4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 60981592
4-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 63233710
2-[3-[4-amino-N-(2-hydroxyethyl)anilino]propylamino]ethanol;trihydrate;trihydrochloride
CID 70549305

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-ethylanilino)ethanol;hydrate?
The IUPAC name of 2-(4-amino-N-ethylanilino)ethanol;hydrate (CID 68828787) is 2-(4-amino-N-ethylanilino)ethanol;hydrate.
What is the SMILES notation for 2-(4-amino-N-ethylanilino)ethanol;hydrate?
The canonical SMILES for 2-(4-amino-N-ethylanilino)ethanol;hydrate is CCN(CCO)c1ccc(N)cc1.O.
What is the InChIKey of 2-(4-amino-N-ethylanilino)ethanol;hydrate?
The InChIKey is YOWWHKKKROSVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.H2O/c1-2-12(7-8-13)10-5-3-9(11)4-6-10;/h3-6,13H,2,7-8,11H2,1H3;1H2.
What are the key properties of 2-(4-amino-N-ethylanilino)ethanol;hydrate?
2-(4-amino-N-ethylanilino)ethanol;hydrate has a molecular weight of 198.27 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-N-ethylanilino)ethanol;hydrate is sourced from PubChem (CID 68828787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).